2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane

C₁₄H₂₆O₇ — CID 171415370

About 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane

2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane (PubChem CID 171415370) has the molecular formula C₁₄H₂₆O₇ and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane
• PubChem CID: 171415370
• Molecular Formula: C₁₄H₂₆O₇
• Molecular Weight: 306.36 g/mol
• Exact Mass: 306.17
• IUPAC Name: 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane
• SMILES: CCCOC1OCC(COCC2COC(OCCC)O2)O1
• InChI: InChI=1S/C14H26O7/c1-3-5-16-13-18-9-11(20-13)7-15-8-12-10-19-14(21-12)17-6-4-2/h11-14H,3-10H2,1-2H3
• InChIKey: WPLXYHVYOGKYRZ-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.36
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane?

The IUPAC name of 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane (CID 171415370) is 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane.

What is the SMILES notation for 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane?

The canonical SMILES for 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane is CCCOC1OCC(COCC2COC(OCCC)O2)O1.

What is the InChIKey of 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane?

The InChIKey is WPLXYHVYOGKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O7/c1-3-5-16-13-18-9-11(20-13)7-15-8-12-10-19-14(21-12)17-6-4-2/h11-14H,3-10H2,1-2H3.

What are the key properties of 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane?

2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane has a molecular weight of 306.36 g/mol, XLogP of 1.25, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane is sourced from PubChem (CID 171415370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171415370 — identifiers, structure, computed properties (public domain)

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